SCHEMBL6197202

SCHEMBL6197202

CCS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CC(C)(C)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.72
PTGS1 P23219 7/20 0.72
NPC1 O15118 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
GAA P10253 1/20 0.40
MLNR O43193 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1930784 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL212969 0.83 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5133527 0.81 PSIP1 (0.52) PTGS2PTGS1NPC1PTGDR2MMP2
SCHEMBL5049079 0.81 PSIP1 (0.52) PTGS2PTGS1NPC1PTGDR2MMP2
SCHEMBL8993420 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL198600 0.79 PSIP1 (0.58) NPC1PTGDR2PSEN1PSEN2APH1B
Sulfamide SCHEMBL4638163 0.76 PTGS2 (0.65) PTGS2PTGS1NPC1
SCHEMBL215434 0.73 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6045043 0.71 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8384120 0.70 PTGS2 (1.00) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505962-A2 MONOTHERAPY FOR THE TREATMENT OF PARKINSON'S DISEASE WITH CYCLOOXYGENASE-2 (COX 2) INHIBITOR(S) Pharmacia Corporation (US) 2005-02-16 EP disclosed
WO-2003088959-A2 TREATMENT OF PARKINSON'S DISEASE WITH CYCLOOXYGENASE-2 (COX 2) INHIBITOR(S) PHARMACIA CORPORATION (US) 2003-10-30 WO disclosed